N-cyclopropyl-2-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[3-(2-allylphenoxy)-2-hydroxy-propyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]thio]-N-cyclopropyl-cinchoninamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

InChI

InChI=1S/C25H26N2O3S/c1-2-7-17-8-3-6-11-23(17)30-15-19(28)16-31-24-14-21(25(29)26-18-12-13-18)20-9-4-5-10-22(20)27-24/h2-6,8-11,14,18-19,28H,1,7,12-13,15-16H2,(H,26,29)